Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro

Ruatta, Santiago M.;Prada Gori, Denis N.;Fló Díaz, Martín;Lorenzelli, Franca;Perelmuter, Karen;Alberca, Lucas N.;Bellera, Carolina L.;Medeiros, Andrea;López, Gloria V.;Ingold, Mariana;Porcal, Williams;Dibello, Estefanía;Ihnatenko, Irina;Kunick, Conrad;Incerti, Marcelo;Luzardo, Martín;Colobbio, Maximiliano;Ramos, Juan Carlos;Manta, Eduardo;Minini, Lucía;Lavaggi, María Laura;Hernández, Paola;Šarlauskas, Jonas;Huerta García, César Sebastian;Castillo, Rafael;Hernández-Campos, Alicia;Ribaudo, Giovanni;Zagotto, Giuseppe;Carlucci, Renzo;Medrán, Noelia S.;Labadie, Guillermo R.;Martinez-Amezaga, Maitena;Delpiccolo, Carina M. L.;Mata, Ernesto G.;Scarone, Laura;Posada, Laura;Serra, Gloria;Calogeropoulou, Theodora;Prousis, Kyriakos;Detsi, Anastasia;Cabrera, Mauricio;Alvarez, Guzmán;Aicardo, Adrián;Araújo, Verena;Chavarría, Cecilia;Mašič, Lucija Peterlin;Gantner, Melisa E.;Llanos, Manuel A.;Rodríguez, Santiago;Gavernet, Luciana;Park, Soonju;Heo, Jinyeong;Lee, Honggun;Paul Park, Kyu-Ho;Bollati-Fogolín, Mariela;Pritsch, Otto;Shum, David;Talevi, Alan;Comini, Marcelo A.

2023-01-01